samples/dipole/twoSplitDipole.md

#include "splitDipole.md"


component{
  type = "HEAD";
  nMol = 2;
}

initialConfig = "./twoSplitDipole.in";


ensemble = NVT;
forceField = "DUFF";
forceFieldFileName = "Lipid.frc";
electrostaticSummationMethod = "none";
dielectric = 80.0;
cutoffRadius = 9.0;
switchingRadius = 7.8;


targetTemp = 10.0;
targetPressure = 1.0;

tauThermostat = 1e4;
tauBarostat = 1e4;

dt = 1.0;
runTime = 1e5;

sampleTime = 1e2;
statusTime = 10;
useInitialTime = "false";
useInitialExtendedSystemState = "false";
Revision:	2489
Committed:	Tue Dec 6 16:49:59 2005 UTC (18 years, 6 months ago) by tim
File size:	498 byte(s)
Log Message:	remove deprecated keywords from samples
#	User	Rev	Content
1	tim	2106	#include "splitDipole.md"
2
3	tim	2489
4	tim	2106	component{
5			type = "HEAD";
6			nMol = 2;
7			}
8
9			initialConfig = "./twoSplitDipole.in";
10
11
12			ensemble = NVT;
13			forceField = "DUFF";
14			forceFieldFileName = "Lipid.frc";
15	chrisfen	2311	electrostaticSummationMethod = "none";
16	tim	2106	dielectric = 80.0;
17			cutoffRadius = 9.0;
18			switchingRadius = 7.8;
19
20
21	tim	2489
22	gezelter	2112	targetTemp = 10.0;
23	tim	2106	targetPressure = 1.0;
24
25			tauThermostat = 1e4;
26			tauBarostat = 1e4;
27
28			dt = 1.0;
29			runTime = 1e5;
30
31			sampleTime = 1e2;
32			statusTime = 10;
33			useInitialTime = "false";
34			useInitialExtendedSystemState = "false";